4-(3-imidazol-1-ylpropylamino)-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-(3-imidazol-1-ylpropylamino)-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[3-(1-imidazolyl)propylamino]-1-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-(3-imidazol-1-ylpropylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-(3-imidazol-1-ylpropylamino)-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C14H16N6O2 MolecularWeight: 300.31584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C(C(=C2C=N1)NCCCN3C=CN=C3)C(=O)O

Isomeric SMILES

CN1C2=NC=C(C(=C2C=N1)NCCCN3C=CN=C3)C(=O)O

InChI

InChI=1S/C14H16N6O2/c1-19-13-10(8-18-19)12(11(7-17-13)14(21)22)16-3-2-5-20-6-4-15-9-20/h4,6-9H,2-3,5H2,1H3,(H,16,17)(H,21,22)